N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide

C23H23N3O6 — CID 138457877

IUPACN-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide
SMILESCCOCCN(C=O)c1ccc(N2C[C@H](CN3C(=O)c4ccccc4C3=O)OC2=O)cc1
InChIInChI=1S/C23H23N3O6/c1-2-31-12-11-24(15-27)16-7-9-17(10-8-16)25-13-18(32-23(25)30)14-26-21(28)19-5-3-4-6-20(19)22(26)29/h3-10,15,18H,2,11-14H2,1H3/t18-/m1/s1
InChIKeySPLLVQCHXIADDM-GOSISDBHSA-N
MW437.45 g/mol
LogP2.31
Rot. Bonds9

About N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide

N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide (PubChem CID 138457877) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide.

Molecular Properties

Compound NameN-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide
PubChem CID138457877
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC NameN-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide
SMILESCCOCCN(C=O)c1ccc(N2C[C@H](CN3C(=O)c4ccccc4C3=O)OC2=O)cc1
InChIInChI=1S/C23H23N3O6/c1-2-31-12-11-24(15-27)16-7-9-17(10-8-16)25-13-18(32-23(25)30)14-26-21(28)19-5-3-4-6-20(19)22(26)29/h3-10,15,18H,2,11-14H2,1H3/t18-/m1/s1
InChIKeySPLLVQCHXIADDM-GOSISDBHSA-N
XLogP2.31
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(chloromethylsulfanyl)-N-[[3-[4-[2-ethoxyethyl(formyl)amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pent-2-enamide
CID 166685633
2-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-formylanilino]ethyl formate
CID 22298024
tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
CID 69256652
2-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 58721924
5-[4-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]furan-2-carbaldehyde
CID 11620561
2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 22447471
2-[[(5S)-3-[4-(2-morpholin-4-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 141391008
(5S)-5-(aminomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 158402090
N-[[(5R)-3-[4-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10348392
3-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]-5-ethyl-1,3-oxazolidin-2-one
CID 90898439
N-(2-ethoxyethyl)-N-(4-methoxyphenyl)formamide
CID 2038996
5-[2-[2-[2-[2-[2-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-3-phenyl-1,3-oxazolidin-2-one
CID 16754539

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide?
The IUPAC name of N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide (CID 138457877) is N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide.
What is the SMILES notation for N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide?
The canonical SMILES for N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide is CCOCCN(C=O)c1ccc(N2C[C@H](CN3C(=O)c4ccccc4C3=O)OC2=O)cc1.
What is the InChIKey of N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide?
The InChIKey is SPLLVQCHXIADDM-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-2-31-12-11-24(15-27)16-7-9-17(10-8-16)25-13-18(32-23(25)30)14-26-21(28)19-5-3-4-6-20(19)22(26)29/h3-10,15,18H,2,11-14H2,1H3/t18-/m1/s1.
What are the key properties of N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide?
N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide has a molecular weight of 437.45 g/mol, XLogP of 2.31, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-ethoxyethyl)formamide is sourced from PubChem (CID 138457877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).